#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xob n ASP 2 N 0.00 -0.16 -2.73 6.43 5.75 -1.26 -1.04 116.55 123.53 1xob n ASP 2 Ca 0.00 0.35 -0.05 0.00 -0.01 0.00 0.00 54.79 55.08 1xob n ASP 2 Cb 0.00 -0.07 0.04 0.00 -1.03 0.00 0.00 41.12 40.06 1xob n ASP 2 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1xob n LYS 3 N -4.27 1.69 -4.40 0.11 5.02 -1.26 -5.10 118.16 109.95 1xob n LYS 3 Ca 0.01 -3.49 -0.35 0.00 -2.02 0.00 0.00 58.31 52.47 1xob n LYS 3 Cb 0.07 -1.55 -0.10 0.00 -0.02 0.00 0.00 35.03 33.43 1xob n LYS 3 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1xob s ILE 4 N -3.68 4.20 -0.51 -0.18 1.01 -0.21 -4.60 121.20 117.23 1xob s ILE 4 Ca 0.29 -0.28 -0.23 0.00 0.00 0.00 0.00 60.65 60.42 1xob s ILE 4 Cb 0.37 -2.77 0.04 0.00 0.01 0.00 0.00 42.46 40.11 1xob s ILE 4 CO -0.02 0.59 0.85 -0.63 0.00 0.00 0.00 174.94 175.73 1xob s ILE 5 N -0.71 4.54 -0.75 2.92 -1.09 -0.15 -4.90 121.20 121.05 1xob s ILE 5 Ca 0.11 0.23 -0.27 0.00 -2.23 0.00 0.00 60.65 58.49 1xob s ILE 5 Cb -0.12 -4.44 0.03 0.00 -1.58 0.00 0.00 42.46 36.36 1xob s ILE 5 CO 0.02 -0.94 1.31 -1.00 -1.23 0.00 0.00 174.94 173.10 1xob s HIS 6 N 3.56 2.27 0.60 3.97 3.76 -1.26 -0.71 115.29 127.47 1xob s HIS 6 Ca 0.28 -0.05 -0.10 0.00 -0.15 0.00 0.00 55.06 55.04 1xob s HIS 6 Cb -0.13 -4.61 -0.03 0.00 1.11 0.00 0.00 32.58 28.92 1xob s HIS 6 CO 0.19 -2.08 0.98 -0.51 -0.85 0.00 0.00 174.74 172.47 1xob s LEU 7 N 5.84 3.28 0.16 0.89 1.43 -1.02 -4.94 118.68 124.32 1xob s LEU 7 Ca 0.37 1.25 0.02 0.00 -1.03 0.00 0.00 54.13 54.74 1xob s LEU 7 Cb -0.08 -4.24 -0.05 0.00 0.03 0.00 0.00 46.19 41.86 1xob s LEU 7 CO 0.14 -0.87 -0.02 0.42 0.23 0.00 0.00 176.35 176.25 1xob s THR 8 N -3.10 0.73 0.21 5.49 -4.23 -1.26 -3.67 115.64 109.80 1xob s THR 8 Ca 0.54 -1.98 -0.10 0.00 -1.18 0.00 0.00 61.69 58.97 1xob s THR 8 Cb -0.11 -2.03 0.14 0.00 1.34 0.00 0.00 72.50 71.84 1xob s THR 8 CO 0.51 -0.56 1.81 -0.78 -0.54 0.00 0.00 174.62 175.06 1xob h ASP 9 N 2.74 0.56 -0.53 3.99 3.58 -1.90 0.91 116.42 125.77 1xob h ASP 9 Ca -0.36 0.03 0.06 0.00 0.42 0.00 0.00 57.03 57.17 1xob h ASP 9 Cb 1.20 -0.08 -0.05 0.00 1.72 0.00 0.00 39.33 42.11 1xob h ASP 9 CO 0.63 0.36 0.22 -0.78 -2.88 0.00 0.00 179.24 176.80 1xob h ASP 10 N 0.69 0.28 1.15 2.28 3.58 -1.99 -2.47 116.42 119.93 1xob h ASP 10 Ca 0.29 0.05 -0.14 0.00 0.42 0.00 0.00 57.03 57.65 1xob h ASP 10 Cb 0.16 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 1xob h ASP 10 CO -0.17 0.19 -0.65 0.77 -2.88 0.00 0.00 179.24 176.49 1xob h SER 11 N 0.43 0.00 -0.93 2.28 4.64 -1.81 -3.35 113.55 114.81 1xob h SER 11 Ca 0.25 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 61.81 1xob h SER 11 Cb 0.23 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 62.15 1xob h SER 11 CO -0.22 0.65 0.03 0.15 -0.87 0.00 0.00 176.83 176.57 1xob h PHE 12 N 0.00 -0.04 0.10 4.77 3.57 -0.34 0.74 116.94 125.74 1xob h PHE 12 Ca -0.01 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1xob h PHE 12 Cb 1.40 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 40.29 1xob h PHE 12 CO 0.00 -0.37 -0.27 0.22 -2.23 0.00 0.00 178.31 175.66 1xob h ASP 13 N 0.05 -0.81 -0.43 0.41 3.58 -1.70 0.35 116.42 117.86 1xob h ASP 13 Ca 0.55 0.08 -0.13 0.00 0.42 0.00 0.00 57.03 57.95 1xob h ASP 13 Cb 1.08 0.29 -0.01 0.00 1.72 0.00 0.00 39.33 42.42 1xob h ASP 13 CO -0.85 -0.30 -0.25 0.74 -2.88 0.00 0.00 179.24 175.70 1xob h THR 14 N -0.42 1.27 0.10 2.25 2.02 -1.64 0.74 112.91 117.22 1xob h THR 14 Ca -0.01 -1.41 -0.00 0.00 0.77 0.00 0.00 66.41 65.75 1xob h THR 14 Cb 0.41 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1xob h THR 14 CO -0.13 0.48 -0.05 0.44 0.37 0.00 0.00 175.52 176.64 1xob h ASP 15 N 0.77 -0.11 0.00 4.18 5.19 -0.88 -3.34 116.42 122.23 1xob h ASP 15 Ca 0.09 -0.38 -0.18 0.00 -0.62 0.00 0.00 57.03 55.94 1xob h ASP 15 Cb 0.83 0.03 -0.03 0.00 0.18 0.00 0.00 39.33 40.34 1xob h ASP 15 CO 0.07 0.53 -1.20 0.52 -3.12 0.00 0.00 179.24 176.04 1xob n VAL 16 N -4.82 1.50 -0.09 -1.35 0.31 0.11 -3.38 118.33 110.60 1xob n VAL 16 Ca -0.06 0.01 -0.05 0.00 -0.01 0.00 0.00 64.34 64.22 1xob n VAL 16 Cb 0.24 -2.14 0.14 0.00 -0.91 0.00 0.00 33.84 31.17 1xob n VAL 16 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1xob h LEU 17 N -1.00 0.75 -3.48 7.52 3.38 -0.18 -1.13 115.31 121.17 1xob h LEU 17 Ca -0.28 -0.22 -0.39 0.00 0.09 0.00 0.00 57.88 57.08 1xob h LEU 17 Cb 1.11 -0.20 -0.21 0.00 0.09 0.00 0.00 40.66 41.45 1xob h LEU 17 CO -0.17 0.88 0.50 0.29 0.09 0.00 0.00 178.44 180.03 1xob n LYS 18 N -4.17 1.96 -2.02 1.13 5.02 0.16 -3.40 118.16 116.84 1xob n LYS 18 Ca 0.01 -2.13 -0.27 0.00 -2.02 0.00 0.00 58.31 53.91 1xob n LYS 18 Cb 0.35 -1.83 -0.06 0.00 -0.02 0.00 0.00 35.03 33.47 1xob n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xob s ALA 19 N -2.39 1.67 -1.38 7.82 0.00 -0.43 -4.83 121.76 122.23 1xob s ALA 19 Ca 0.41 -2.01 -0.11 0.00 0.00 0.00 0.00 51.96 50.25 1xob s ALA 19 Cb 0.34 -4.66 -0.06 0.00 0.00 0.00 0.00 23.12 18.73 1xob s ALA 19 CO 0.05 -5.33 2.55 -3.47 0.00 0.00 0.00 175.76 169.56 1xob n ASP 20 N 14.82 6.46 0.00 0.00 2.03 -1.26 -0.32 116.55 138.28 1xob n ASP 20 Ca 0.44 -2.58 0.00 0.00 0.52 0.00 0.00 54.79 53.17 1xob n ASP 20 Cb 0.47 -1.45 0.00 0.00 -0.72 0.00 0.00 41.12 39.42 1xob n ASP 20 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xob n GLY 21 N 3.80 -0.01 3.66 0.27 0.00 -1.26 -4.98 105.19 106.68 1xob n GLY 21 Ca 0.64 -1.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 1xob n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xob s ALA 22 N -2.00 3.54 -0.13 4.61 0.00 -1.26 -3.76 121.76 122.75 1xob s ALA 22 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.76 1xob s ALA 22 Cb 0.00 -3.03 0.02 0.00 0.00 0.00 0.00 23.12 20.12 1xob s ALA 22 CO 0.00 -0.57 -0.12 0.42 0.00 0.00 0.00 175.76 175.49 1xob s ILE 23 N 1.95 1.40 -0.70 0.00 1.01 0.38 -0.63 121.20 124.61 1xob s ILE 23 Ca 0.31 -0.53 -0.19 0.00 0.00 0.00 0.00 60.65 60.23 1xob s ILE 23 Cb -0.16 -1.34 0.11 0.00 0.01 0.00 0.00 42.46 41.08 1xob s ILE 23 CO 0.11 0.43 0.87 -0.22 0.00 0.00 0.00 174.94 176.13 1xob s LEU 24 N 1.49 5.15 -0.59 2.97 2.96 0.14 -0.35 118.68 130.45 1xob s LEU 24 Ca 0.04 -1.55 -0.24 0.00 -0.22 0.00 0.00 54.13 52.16 1xob s LEU 24 Cb -0.13 -2.35 0.05 0.00 0.50 0.00 0.00 46.19 44.26 1xob s LEU 24 CO -0.09 -1.15 0.96 -0.69 -1.32 0.00 0.00 176.35 174.06 1xob s VAL 25 N 2.87 4.34 -0.46 1.68 1.01 0.57 -0.61 120.40 129.80 1xob s VAL 25 Ca 0.20 0.10 -0.18 0.00 0.00 0.00 0.00 61.98 62.09 1xob s VAL 25 Cb -0.17 -4.60 0.04 0.00 0.00 0.00 0.00 36.38 31.65 1xob s VAL 25 CO 0.03 -1.24 0.54 -0.62 0.00 0.00 0.00 175.10 173.80 1xob s ASP 26 N 3.12 6.23 -0.02 3.32 2.15 0.32 -0.54 116.67 131.24 1xob s ASP 26 Ca 0.28 -0.74 -0.30 0.00 0.43 0.00 0.00 52.55 52.22 1xob s ASP 26 Cb -0.14 -2.26 -0.03 0.00 -0.30 0.00 0.00 42.92 40.20 1xob s ASP 26 CO 0.16 -0.73 1.00 -0.36 -0.17 0.00 0.00 175.17 175.07 1xob s PHE 27 N 2.39 3.62 0.27 -5.34 0.40 0.44 -0.36 117.98 119.40 1xob s PHE 27 Ca 0.14 1.66 -0.01 0.00 -0.60 0.00 0.00 56.93 58.12 1xob s PHE 27 Cb -0.18 -3.15 -0.02 0.00 0.51 0.00 0.00 43.02 40.18 1xob s PHE 27 CO 0.14 -0.12 0.30 1.67 0.70 0.00 0.00 175.22 177.91 1xob s TRP 28 N 1.22 1.18 -0.13 0.36 1.48 0.19 -2.57 118.94 120.67 1xob s TRP 28 Ca 0.52 -1.34 -0.21 0.00 -1.06 0.00 0.00 56.10 54.00 1xob s TRP 28 Cb -0.21 -0.38 0.05 0.00 -1.16 0.00 0.00 33.47 31.77 1xob s TRP 28 CO 0.26 -0.86 0.54 0.00 -4.06 0.00 0.00 176.95 172.83 1xob s ALA 29 N -3.71 -1.36 0.19 2.67 0.00 -1.26 -0.54 121.76 117.75 1xob s ALA 29 Ca 0.35 1.27 -0.14 0.00 0.00 0.00 0.00 51.96 53.44 1xob s ALA 29 Cb 0.03 -0.49 0.20 0.00 0.00 0.00 0.00 23.12 22.86 1xob s ALA 29 CO 0.18 -0.29 1.66 0.93 0.00 0.00 0.00 175.76 178.23 1xob h GLU 30 N 4.42 0.05 0.00 0.00 3.07 -2.00 -0.92 114.58 119.21 1xob h GLU 30 Ca -0.28 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.56 1xob h GLU 30 Cb 1.16 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 29.06 1xob h GLU 30 CO 0.26 0.04 -0.09 0.11 -1.40 0.00 0.00 179.01 177.93 1xob h TRP 31 N 0.06 0.00 0.00 4.33 5.08 -2.06 -3.37 115.95 119.99 1xob h TRP 31 Ca 0.27 0.00 -0.71 0.00 1.08 0.00 0.00 58.89 59.53 1xob h TRP 31 Cb 0.42 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.54 1xob h TRP 31 CO -0.39 0.09 3.13 0.00 -1.28 0.00 0.00 178.44 179.99 1xob n GLY 33 N 4.10 0.00 0.59 0.00 0.00 -1.26 -0.45 105.19 108.17 1xob n GLY 33 Ca 0.52 0.00 0.42 0.00 0.00 0.00 0.00 46.02 46.96 1xob n GLY 33 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1xob h PRO 34 N 0.00 0.03 -0.90 1.61 0.11 -1.95 0.16 132.00 131.07 1xob h PRO 34 Ca 0.00 -0.00 0.13 0.00 0.11 0.00 0.00 66.00 66.24 1xob h PRO 34 Cb 0.00 -0.01 -0.09 0.00 0.11 0.00 0.00 31.00 31.01 1xob h PRO 34 CO 0.00 0.02 0.51 0.00 -0.21 0.00 0.00 178.00 178.33 1xob h LYS 36 N 0.77 0.00 -0.03 0.00 1.57 -0.86 0.12 116.57 118.14 1xob h LYS 36 Ca 0.47 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 59.13 1xob h LYS 36 Cb 0.57 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.89 1xob h LYS 36 CO -0.31 0.30 -0.44 0.52 -0.57 0.00 0.00 179.45 178.95 1xob h MET 37 N 0.00 0.36 0.00 3.15 2.86 -0.79 -3.26 114.93 117.25 1xob h MET 37 Ca -0.00 -0.34 -0.12 0.00 -2.06 0.00 0.00 59.70 57.17 1xob h MET 37 Cb 0.60 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.33 1xob h MET 37 CO 0.04 1.01 -0.58 -0.84 1.06 0.00 0.00 176.91 177.59 1xob h ILE 38 N -0.16 1.22 -0.90 -1.22 3.07 -0.98 -3.37 117.51 115.17 1xob h ILE 38 Ca -0.05 -2.15 0.09 0.00 1.55 0.00 0.00 64.86 64.30 1xob h ILE 38 Cb 1.13 2.22 -0.11 0.00 -0.27 0.00 0.00 36.82 39.80 1xob h ILE 38 CO 0.09 0.57 -0.52 0.00 -1.05 0.00 0.00 178.15 177.24 1xob n ALA 39 N -2.34 -0.54 -0.36 0.16 0.00 0.42 -0.25 120.51 117.60 1xob n ALA 39 Ca -0.00 0.78 0.04 0.00 0.00 0.00 0.00 53.44 54.26 1xob n ALA 39 Cb 0.65 -0.15 0.20 0.00 0.00 0.00 0.00 19.45 20.15 1xob n ALA 39 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1xob h PRO 40 N 0.00 1.05 0.07 0.00 0.13 -1.75 0.70 132.00 132.20 1xob h PRO 40 Ca 0.16 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1xob h PRO 40 Cb 0.38 -0.24 -0.00 0.00 0.13 0.00 0.00 31.00 31.27 1xob h PRO 40 CO -0.85 0.70 -0.06 0.82 -0.23 0.00 0.00 178.00 178.38 1xob h ILE 41 N 1.08 0.87 -0.88 -3.56 2.04 -0.82 0.81 117.51 117.06 1xob h ILE 41 Ca 0.45 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.41 1xob h ILE 41 Cb 0.30 0.87 -0.07 0.00 -0.74 0.00 0.00 36.82 37.18 1xob h ILE 41 CO -0.21 0.00 0.53 -0.07 0.00 0.00 0.00 178.15 178.40 1xob h LEU 42 N -0.13 0.78 -0.13 1.44 3.38 0.19 0.79 115.31 121.63 1xob h LEU 42 Ca -0.00 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1xob h LEU 42 Cb 0.12 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1xob h LEU 42 CO -0.01 0.46 0.07 0.44 0.09 0.00 0.00 178.44 179.49 1xob h ASP 43 N 0.90 0.16 -0.07 -0.43 3.32 -0.20 0.18 116.42 120.28 1xob h ASP 43 Ca 0.41 -0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.42 1xob h ASP 43 Cb 0.33 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 1xob h ASP 43 CO -0.23 0.19 -0.12 -0.33 -1.72 0.00 0.00 179.24 177.03 1xob h GLU 44 N 0.12 -0.17 -0.46 3.56 5.08 0.05 -1.07 114.58 121.70 1xob h GLU 44 Ca 0.05 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.48 1xob h GLU 44 Cb 0.06 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 1xob h GLU 44 CO -0.01 -0.11 0.16 0.82 -1.00 0.00 0.00 179.01 178.87 1xob h ILE 45 N -0.17 0.85 -0.97 3.13 1.08 -0.71 0.12 117.51 120.84 1xob h ILE 45 Ca 0.07 -0.12 0.13 0.00 -0.39 0.00 0.00 64.86 64.55 1xob h ILE 45 Cb 0.27 0.49 -0.09 0.00 -3.07 0.00 0.00 36.82 34.42 1xob h ILE 45 CO -0.18 0.06 0.60 0.00 -0.69 0.00 0.00 178.15 177.94 1xob h ALA 46 N 1.30 1.47 0.35 1.87 0.00 0.12 0.11 119.26 124.49 1xob h ALA 46 Ca 0.22 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1xob h ALA 46 Cb 0.21 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1xob h ALA 46 CO -0.22 0.16 -0.17 0.22 0.00 0.00 0.00 179.25 179.25 1xob h ASP 47 N 0.92 -0.40 -0.69 0.00 3.58 -0.34 -2.31 116.42 117.18 1xob h ASP 47 Ca 0.49 -0.07 0.15 0.00 0.42 0.00 0.00 57.03 58.02 1xob h ASP 47 Cb 0.53 0.10 -0.12 0.00 1.72 0.00 0.00 39.33 41.56 1xob h ASP 47 CO -0.28 0.05 -0.02 -0.33 -2.88 0.00 0.00 179.24 175.79 1xob h GLU 48 N -1.07 0.09 -0.60 0.28 5.08 -0.42 -0.92 114.58 117.02 1xob h GLU 48 Ca -0.05 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.20 1xob h GLU 48 Cb 0.45 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.61 1xob h GLU 48 CO 0.08 0.06 0.12 0.66 -1.00 0.00 0.00 179.01 178.93 1xob n TYR 49 N -5.33 2.06 -1.66 4.33 4.02 0.34 -5.01 117.16 115.90 1xob n TYR 49 Ca 0.11 -1.01 -0.46 0.00 -0.01 0.00 0.00 57.90 56.53 1xob n TYR 49 Cb 0.41 -0.57 -0.04 0.00 -0.02 0.00 0.00 39.34 39.13 1xob n TYR 49 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 1xob n GLN 50 N 0.02 1.99 0.00 -0.72 -0.06 -0.35 -0.56 117.38 117.70 1xob n GLN 50 Ca 0.33 0.72 0.00 0.00 -2.00 0.00 0.00 57.00 56.05 1xob n GLN 50 Cb 1.24 -2.43 0.00 0.00 -4.06 0.00 0.00 30.24 24.99 1xob n GLN 50 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1xob n GLY 51 N 2.88 3.05 0.13 1.69 0.00 -1.26 -4.72 105.19 106.97 1xob n GLY 51 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 1xob n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xob n LYS 52 N -2.00 0.65 -4.37 1.61 5.02 0.16 -4.93 118.16 114.30 1xob n LYS 52 Ca 0.00 0.17 -0.26 0.00 -2.02 0.00 0.00 58.31 56.20 1xob n LYS 52 Cb 0.00 -1.53 -0.17 0.00 -0.02 0.00 0.00 35.03 33.32 1xob n LYS 52 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1xob s LEU 53 N -6.66 1.53 -0.58 -0.35 2.96 0.27 -4.40 118.68 111.45 1xob s LEU 53 Ca -0.35 -0.32 -0.22 0.00 -0.22 0.00 0.00 54.13 53.02 1xob s LEU 53 Cb 0.10 -0.87 0.06 0.00 0.50 0.00 0.00 46.19 45.97 1xob s LEU 53 CO 0.59 -0.01 0.88 -0.89 -1.32 0.00 0.00 176.35 175.60 1xob s THR 54 N 1.01 4.47 0.01 3.68 2.01 0.20 -4.53 115.64 122.49 1xob s THR 54 Ca -0.08 -0.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.49 1xob s THR 54 Cb -0.15 -4.54 -0.03 0.00 0.01 0.00 0.00 72.50 67.79 1xob s THR 54 CO -0.01 -1.17 1.00 -0.69 -0.69 0.00 0.00 174.62 173.06 1xob s VAL 55 N 3.70 4.79 0.03 3.82 1.01 -1.26 -0.68 120.40 131.80 1xob s VAL 55 Ca 0.24 2.01 0.04 0.00 0.00 0.00 0.00 61.98 64.27 1xob s VAL 55 Cb -0.16 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 31.92 1xob s VAL 55 CO 0.14 0.16 -0.11 0.00 0.00 0.00 0.00 175.10 175.29 1xob s ALA 56 N 0.97 0.91 -0.29 5.51 0.00 0.22 -0.98 121.76 128.11 1xob s ALA 56 Ca 0.52 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.82 1xob s ALA 56 Cb -0.22 -0.13 0.08 0.00 0.00 0.00 0.00 23.12 22.85 1xob s ALA 56 CO 0.28 0.16 0.00 0.15 0.00 0.00 0.00 175.76 176.35 1xob s LYS 57 N -0.97 1.50 -0.34 0.00 1.02 0.11 -0.52 119.74 120.54 1xob s LYS 57 Ca -0.00 -1.36 -0.15 0.00 0.02 0.00 0.00 55.97 54.48 1xob s LYS 57 Cb -0.07 -2.74 -0.01 0.00 -0.52 0.00 0.00 37.83 34.49 1xob s LYS 57 CO 0.01 -0.78 0.34 -1.17 -0.92 0.00 0.00 175.35 172.83 1xob s LEU 58 N 1.22 4.44 -0.52 3.17 0.20 0.51 -2.43 118.68 125.27 1xob s LEU 58 Ca 0.02 -0.24 -0.29 0.00 0.69 0.00 0.00 54.13 54.31 1xob s LEU 58 Cb -0.19 -2.31 0.03 0.00 -0.43 0.00 0.00 46.19 43.29 1xob s LEU 58 CO -0.10 -0.32 1.21 0.21 -0.29 0.00 0.00 176.35 177.06 1xob s ASN 59 N 1.73 6.48 0.26 3.68 3.84 -1.24 -0.64 114.94 129.05 1xob s ASN 59 Ca 0.11 0.33 0.06 0.00 0.21 0.00 0.00 52.86 53.57 1xob s ASN 59 Cb -0.17 -2.55 0.31 0.00 -0.55 0.00 0.00 41.25 38.30 1xob s ASN 59 CO 0.11 -1.41 1.60 0.16 -2.79 0.00 0.00 177.10 174.77 1xob h ILE 60 N 6.24 1.38 -0.38 -5.21 3.07 -1.05 -2.18 117.51 119.37 1xob h ILE 60 Ca -0.25 -1.91 0.11 0.00 1.55 0.00 0.00 64.86 64.36 1xob h ILE 60 Cb 1.07 1.97 -0.02 0.00 -0.27 0.00 0.00 36.82 39.57 1xob h ILE 60 CO 1.15 0.56 0.34 0.44 -1.05 0.00 0.00 178.15 179.59 1xob h ASP 61 N 0.14 0.00 -0.01 2.16 3.32 -1.91 1.00 116.42 121.12 1xob h ASP 61 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xob h ASP 61 Cb 1.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.60 1xob h ASP 61 CO 0.09 0.00 -0.03 0.00 -1.72 0.00 0.00 179.24 177.57 1xob n GLN 62 N -4.04 0.87 -3.03 3.56 1.13 -1.16 -4.73 117.38 109.98 1xob n GLN 62 Ca 0.06 -1.15 -0.16 0.00 -1.94 0.00 0.00 57.00 53.82 1xob n GLN 62 Cb 0.51 -1.22 0.00 0.00 0.11 0.00 0.00 30.24 29.65 1xob n GLN 62 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1xob n ASN 63 N 0.56 -0.43 -0.09 1.08 3.02 0.20 -4.90 115.26 114.70 1xob n ASN 63 Ca 0.07 -3.17 -0.07 0.00 -0.03 0.00 0.00 54.58 51.39 1xob n ASN 63 Cb 0.30 0.26 0.01 0.00 -0.61 0.00 0.00 39.78 39.73 1xob n ASN 63 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1xob h PRO 64 N 3.25 0.19 -1.00 3.52 0.11 -1.43 -3.08 132.00 133.56 1xob h PRO 64 Ca 0.02 -0.01 0.41 0.00 0.11 0.00 0.00 66.00 66.53 1xob h PRO 64 Cb 0.99 -0.04 -0.18 0.00 0.11 0.00 0.00 31.00 31.89 1xob h PRO 64 CO 0.38 0.13 0.54 0.78 -0.21 0.00 0.00 178.00 179.63 1xob h GLY 65 N 0.20 2.25 2.00 -0.55 0.00 -1.95 0.62 103.07 105.65 1xob h GLY 65 Ca 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 1xob h GLY 65 CO -0.19 -0.76 -0.09 -0.84 0.00 0.00 0.00 176.54 174.66 1xob h THR 66 N 0.05 0.46 0.63 4.70 2.02 -1.94 -3.18 112.91 115.65 1xob h THR 66 Ca 0.83 -0.45 -0.03 0.00 0.77 0.00 0.00 66.41 67.53 1xob h THR 66 Cb 2.17 1.31 0.01 0.00 -1.74 0.00 0.00 68.15 69.89 1xob h THR 66 CO -0.75 0.09 -0.30 0.00 0.37 0.00 0.00 175.52 174.93 1xob h ALA 67 N 1.91 -1.07 -0.53 6.16 0.00 -1.06 -3.20 119.26 121.47 1xob h ALA 67 Ca -0.00 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.78 1xob h ALA 67 Cb 0.30 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1xob h ALA 67 CO 0.01 -1.01 0.35 -1.00 0.00 0.00 0.00 179.25 177.61 1xob h PRO 68 N -0.96 0.50 -0.69 0.00 0.13 -1.73 -1.03 132.00 128.22 1xob h PRO 68 Ca -0.09 -0.03 0.20 0.00 -0.87 0.00 0.00 66.00 65.21 1xob h PRO 68 Cb 0.64 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.64 1xob h PRO 68 CO 0.14 0.33 0.52 0.87 -0.23 0.00 0.00 178.00 179.63 1xob h LYS 69 N 0.51 0.00 -0.02 0.86 1.57 -1.55 0.33 116.57 118.27 1xob h LYS 69 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1xob h LYS 69 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1xob h LYS 69 CO -0.06 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.48 1xob n TYR 70 N -4.20 0.07 -4.04 -1.35 4.01 -0.56 -5.00 117.16 106.09 1xob n TYR 70 Ca 0.14 -0.88 -0.33 0.00 -0.16 0.00 0.00 57.90 56.67 1xob n TYR 70 Cb 0.78 -0.14 -0.01 0.00 -0.31 0.00 0.00 39.34 39.67 1xob n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xob n GLY 71 N -1.15 -0.47 3.72 2.72 0.00 0.10 -4.87 105.19 105.24 1xob n GLY 71 Ca 0.13 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 1xob n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xob s ILE 72 N -3.24 2.57 0.09 -0.61 1.01 -0.52 -4.92 121.20 115.57 1xob s ILE 72 Ca 0.69 0.41 -0.03 0.00 0.00 0.00 0.00 60.65 61.72 1xob s ILE 72 Cb -0.37 -3.27 -0.26 0.00 0.01 0.00 0.00 42.46 38.58 1xob s ILE 72 CO 0.85 0.04 1.18 0.03 0.00 0.00 0.00 174.94 177.04 1xob h ARG 73 N 6.54 0.27 0.00 2.79 3.08 -1.91 -3.45 114.38 121.71 1xob h ARG 73 Ca -0.43 -0.43 0.00 0.00 0.07 0.00 0.00 59.98 59.19 1xob h ARG 73 Cb 1.21 0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.41 1xob h ARG 73 CO 0.90 1.18 0.00 0.41 -1.07 0.00 0.00 179.97 181.39 1xob n GLY 74 N 1.41 1.26 3.21 0.04 0.00 -1.26 -5.19 105.19 104.66 1xob n GLY 74 Ca -0.08 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 1xob n GLY 74 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xob s ILE 75 N -1.85 0.13 0.32 -0.61 -4.36 -1.26 -4.38 121.20 109.18 1xob s ILE 75 Ca 0.00 -1.05 -0.29 0.00 -0.26 0.00 0.00 60.65 59.05 1xob s ILE 75 Cb 0.00 -1.20 -0.10 0.00 1.25 0.00 0.00 42.46 42.41 1xob s ILE 75 CO 0.00 -0.58 1.21 -2.16 0.24 0.00 0.00 174.94 173.65 1xob s PRO 76 N -3.47 4.45 -0.05 0.37 0.04 -1.26 -4.81 135.00 130.27 1xob s PRO 76 Ca 0.02 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.08 1xob s PRO 76 Cb 0.03 -3.09 0.03 0.00 0.04 0.00 0.00 34.50 31.51 1xob s PRO 76 CO -0.09 -0.03 0.01 0.99 0.04 0.00 0.00 177.00 177.91 1xob s THR 77 N -1.17 0.25 -0.29 1.26 2.01 -1.06 -0.22 115.64 116.43 1xob s THR 77 Ca 0.48 0.14 -0.11 0.00 0.31 0.00 0.00 61.69 62.51 1xob s THR 77 Cb -0.36 -0.39 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 1xob s THR 77 CO 0.47 0.21 0.18 -0.76 -0.69 0.00 0.00 174.62 174.03 1xob s LEU 78 N 1.61 4.02 -0.23 4.42 1.43 0.76 -0.42 118.68 130.27 1xob s LEU 78 Ca -0.01 -0.10 -0.02 0.00 -1.03 0.00 0.00 54.13 52.96 1xob s LEU 78 Cb -0.13 -2.10 0.01 0.00 0.03 0.00 0.00 46.19 44.01 1xob s LEU 78 CO -0.03 -0.08 -0.07 -0.76 0.23 0.00 0.00 176.35 175.64 1xob s LEU 79 N 1.73 2.97 -0.59 1.79 1.02 0.29 -0.35 118.68 125.54 1xob s LEU 79 Ca 0.07 -0.68 -0.20 0.00 0.02 0.00 0.00 54.13 53.34 1xob s LEU 79 Cb -0.16 -1.67 0.09 0.00 0.02 0.00 0.00 46.19 44.47 1xob s LEU 79 CO 0.10 -0.08 0.74 -0.22 0.02 0.00 0.00 176.35 176.92 1xob s LEU 80 N 1.38 5.14 0.00 1.79 2.96 0.06 -0.32 118.68 129.69 1xob s LEU 80 Ca 0.03 -1.27 -0.19 0.00 -0.22 0.00 0.00 54.13 52.48 1xob s LEU 80 Cb -0.15 -2.35 -0.06 0.00 0.50 0.00 0.00 46.19 44.13 1xob s LEU 80 CO -0.05 -1.15 0.53 -0.36 -1.32 0.00 0.00 176.35 174.00 1xob s PHE 81 N 2.94 3.70 -0.05 5.38 0.40 0.52 -0.19 117.98 130.69 1xob s PHE 81 Ca 0.14 1.13 -0.02 0.00 -0.60 0.00 0.00 56.93 57.58 1xob s PHE 81 Cb -0.22 -2.50 0.03 0.00 0.51 0.00 0.00 43.02 40.84 1xob s PHE 81 CO 0.08 0.45 0.05 0.15 0.70 0.00 0.00 175.22 176.65 1xob s LYS 82 N -0.51 0.01 -1.48 0.44 1.02 0.41 -0.47 119.74 119.17 1xob s LYS 82 Ca 0.28 0.32 -0.11 0.00 0.02 0.00 0.00 55.97 56.47 1xob s LYS 82 Cb -0.18 -0.65 0.06 0.00 -0.52 0.00 0.00 37.83 36.55 1xob s LYS 82 CO 0.16 -0.35 0.97 -1.71 -0.92 0.00 0.00 175.35 173.50 1xob n ASN 83 N 5.28 -4.49 0.00 2.83 5.15 0.56 -0.82 115.26 123.78 1xob n ASN 83 Ca -0.04 -0.75 0.00 0.00 -0.60 0.00 0.00 54.58 53.19 1xob n ASN 83 Cb 0.50 -4.06 0.00 0.00 -0.53 0.00 0.00 39.78 35.69 1xob n ASN 83 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xob n GLY 84 N -1.71 2.03 3.80 8.20 0.00 -1.22 -4.85 105.19 111.44 1xob n GLY 84 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1xob n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xob s GLU 85 N 0.00 4.04 -0.32 1.61 2.02 0.00 -4.84 118.70 121.21 1xob s GLU 85 Ca 0.00 0.35 -0.29 0.00 0.02 0.00 0.00 54.97 55.05 1xob s GLU 85 Cb 0.00 -3.30 -0.01 0.00 0.10 0.00 0.00 34.13 30.93 1xob s GLU 85 CO 0.00 0.52 1.47 0.08 0.02 0.00 0.00 175.26 177.35 1xob s VAL 86 N -0.48 3.88 0.03 2.63 1.01 -1.26 -0.45 120.40 125.75 1xob s VAL 86 Ca 0.23 0.95 -0.17 0.00 0.00 0.00 0.00 61.98 62.99 1xob s VAL 86 Cb -0.16 -4.00 -0.32 0.00 0.00 0.00 0.00 36.38 31.91 1xob s VAL 86 CO 0.11 -0.51 1.03 0.00 0.00 0.00 0.00 175.10 175.73 1xob h ALA 87 N 10.50 -0.08 -2.84 5.51 0.00 -0.90 -3.48 119.26 127.97 1xob h ALA 87 Ca -0.29 -0.79 -0.03 0.00 0.00 0.00 0.00 54.91 53.80 1xob h ALA 87 Cb 1.12 0.13 -0.13 0.00 0.00 0.00 0.00 17.79 18.92 1xob h ALA 87 CO 1.04 0.63 0.15 0.00 0.00 0.00 0.00 179.25 181.07 1xob s ALA 88 N -2.77 -1.49 0.02 0.00 0.00 -1.22 -5.03 121.76 111.28 1xob s ALA 88 Ca -0.10 0.49 0.03 0.00 0.00 0.00 0.00 51.96 52.38 1xob s ALA 88 Cb 0.04 0.74 -0.02 0.00 0.00 0.00 0.00 23.12 23.89 1xob s ALA 88 CO 0.92 -0.69 -0.09 0.99 0.00 0.00 0.00 175.76 176.89 1xob s THR 89 N -3.43 0.66 -0.05 0.00 2.01 -1.26 -0.76 115.64 112.81 1xob s THR 89 Ca -0.00 -0.75 -0.01 0.00 0.31 0.00 0.00 61.69 61.23 1xob s THR 89 Cb -0.00 -0.63 0.03 0.00 0.01 0.00 0.00 72.50 71.90 1xob s THR 89 CO -0.10 -0.09 0.02 -0.75 -0.69 0.00 0.00 174.62 173.01 1xob s LYS 90 N -0.93 0.33 -0.21 4.92 2.36 0.52 -5.00 119.74 121.73 1xob s LYS 90 Ca -0.02 0.18 -0.08 0.00 -2.55 0.00 0.00 55.97 53.50 1xob s LYS 90 Cb -0.07 -0.71 -0.04 0.00 -1.05 0.00 0.00 37.83 35.96 1xob s LYS 90 CO 0.00 -0.27 0.07 0.08 1.55 0.00 0.00 175.35 176.79 1xob s VAL 91 N 1.78 4.70 0.00 4.02 1.01 -1.26 -0.17 120.40 130.47 1xob s VAL 91 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.93 1xob s VAL 91 Cb -0.13 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1xob s VAL 91 CO -0.04 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.09 1xob n GLY 92 N 4.01 1.69 3.70 4.51 0.00 0.70 -5.01 105.19 114.79 1xob n GLY 92 Ca -0.16 -1.97 -0.29 0.00 0.00 0.00 0.00 46.02 43.60 1xob n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xob s ALA 93 N -2.36 1.13 0.25 4.61 0.00 -1.26 -4.75 121.76 119.38 1xob s ALA 93 Ca 0.00 -0.50 -0.21 0.00 0.00 0.00 0.00 51.96 51.25 1xob s ALA 93 Cb 0.00 -3.06 0.05 0.00 0.00 0.00 0.00 23.12 20.11 1xob s ALA 93 CO 0.00 -2.79 0.84 -0.48 0.00 0.00 0.00 175.76 173.34 1xob s LEU 94 N -6.40 -0.15 0.52 0.00 2.34 -1.26 -5.14 118.68 108.59 1xob s LEU 94 Ca 0.66 -0.66 -0.04 0.00 0.06 0.00 0.00 54.13 54.14 1xob s LEU 94 Cb -0.16 2.51 -0.01 0.00 -0.56 0.00 0.00 46.19 47.96 1xob s LEU 94 CO 0.56 -1.24 0.81 -0.94 -1.06 0.00 0.00 176.35 174.48 1xob s SER 95 N -3.01 5.91 0.21 1.48 1.04 -1.26 -4.91 113.70 113.16 1xob s SER 95 Ca 0.13 0.72 -0.09 0.00 0.48 0.00 0.00 55.95 57.19 1xob s SER 95 Cb -0.04 -1.90 0.27 0.00 0.10 0.00 0.00 66.02 64.45 1xob s SER 95 CO 0.06 -0.79 1.77 0.50 0.98 0.00 0.00 173.24 175.76 1xob h LYS 96 N 0.10 0.49 0.53 4.02 3.64 -1.98 0.38 116.57 123.75 1xob h LYS 96 Ca -0.46 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 58.87 1xob h LYS 96 Cb 1.23 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 1xob h LYS 96 CO 0.61 0.33 -0.48 0.78 -2.27 0.00 0.00 179.45 178.41 1xob h GLY 97 N 0.51 -1.26 0.41 5.01 0.00 -1.99 0.59 103.07 106.35 1xob h GLY 97 Ca 0.30 0.57 0.12 0.00 0.00 0.00 0.00 47.33 48.32 1xob h GLY 97 CO -0.26 -0.38 0.48 1.46 0.00 0.00 0.00 176.54 177.84 1xob h GLN 98 N -1.00 0.74 0.06 4.80 1.08 -1.85 0.15 115.11 119.09 1xob h GLN 98 Ca -0.07 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1xob h GLN 98 Cb 0.85 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 28.11 1xob h GLN 98 CO -0.03 0.49 -0.06 1.25 -0.95 0.00 0.00 178.83 179.53 1xob h LEU 99 N 0.76 -0.14 -0.82 1.46 5.85 -0.67 0.20 115.31 121.96 1xob h LEU 99 Ca 0.44 0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.22 1xob h LEU 99 Cb 0.49 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 1xob h LEU 99 CO -0.29 -0.09 0.51 0.11 -0.34 0.00 0.00 178.44 178.34 1xob h LYS 100 N -0.13 0.94 0.14 1.25 1.57 0.61 0.11 116.57 121.05 1xob h LYS 100 Ca 0.00 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1xob h LYS 100 Cb 0.12 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1xob h LYS 100 CO -0.01 0.62 -0.15 0.93 -0.57 0.00 0.00 179.45 180.27 1xob h GLU 101 N 0.96 -0.32 -0.21 3.15 3.07 -0.43 0.98 114.58 121.79 1xob h GLU 101 Ca 0.34 0.02 0.06 0.00 -0.50 0.00 0.00 59.36 59.28 1xob h GLU 101 Cb 0.09 0.07 -0.06 0.00 -0.84 0.00 0.00 28.75 28.01 1xob h GLU 101 CO -0.14 -0.21 -0.19 0.35 -1.40 0.00 0.00 179.01 177.41 1xob h PHE 102 N -0.33 -0.49 0.19 4.33 3.57 -0.34 0.37 116.94 124.25 1xob h PHE 102 Ca 0.01 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.55 1xob h PHE 102 Cb 0.32 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 1xob h PHE 102 CO -0.14 -0.27 -0.22 -0.07 -2.23 0.00 0.00 178.31 175.38 1xob h LEU 103 N -0.20 -0.61 -0.30 0.59 3.38 -0.61 -1.50 115.31 116.07 1xob h LEU 103 Ca 0.13 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.22 1xob h LEU 103 Cb 0.39 0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.29 1xob h LEU 103 CO -0.33 -0.32 -0.14 -0.78 0.09 0.00 0.00 178.44 176.96 1xob h ASP 104 N -0.46 -0.48 -0.96 -0.43 3.58 -0.42 0.21 116.42 117.46 1xob h ASP 104 Ca 0.01 0.12 0.11 0.00 0.42 0.00 0.00 57.03 57.68 1xob h ASP 104 Cb 0.44 0.27 -0.08 0.00 1.72 0.00 0.00 39.33 41.68 1xob h ASP 104 CO -0.07 -0.18 0.61 0.00 -2.88 0.00 0.00 179.24 176.72 1xob h ALA 105 N 1.14 1.58 0.14 -0.78 0.00 -0.69 0.94 119.26 121.59 1xob h ALA 105 Ca 0.16 0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.82 1xob h ALA 105 Cb 0.33 -0.21 0.03 0.00 0.00 0.00 0.00 17.79 17.94 1xob h ALA 105 CO -0.36 0.20 -1.07 -0.91 0.00 0.00 0.00 179.25 177.11 1xob h ASN 106 N 0.95 0.69 -0.35 0.00 2.35 -0.19 -3.31 115.58 115.72 1xob h ASN 106 Ca 0.46 -0.88 -0.03 0.00 -0.55 0.00 0.00 56.30 55.30 1xob h ASN 106 Cb 0.47 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 1xob h ASN 106 CO -0.23 1.51 0.08 -0.07 -1.65 0.00 0.00 177.43 177.08 1xob h LEU 107 N -0.02 0.54 0.00 1.61 3.38 -0.33 -3.52 115.31 116.97 1xob h LEU 107 Ca -0.17 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1xob h LEU 107 Cb 1.80 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.41 1xob h LEU 107 CO 0.20 0.63 0.00 0.00 0.09 0.00 0.00 178.44 179.36